Molecule card · MolClass #51282
17387329
17387329: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17387329Mitochondrial Fusion · compound_name
- MolClass ID
- 51282
- InChIKey
- MSFBLTQDSQNDBB-UHFFFAOYSA-N
- Canonical SMILES
- CCc1cc(cs1)c3nnc(n3(Cc2ccccc2))S
- Standard InChI
- InChI=1S/C15H15N3S2/c1-2-13-8-12(10-20-13)14-16-17-15(19)18(14)9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,17,19)
- Stored Murcko scaffold
- n1nc(-c2cscc2)n(c1)Cc3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.432 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.863
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17387329